2-(triazol-2-yl)aniline;hydrochloride

C8H9ClN4 — CID 126796933

IUPAC2-(triazol-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccccc1-n1nccn1
InChIInChI=1S/C8H8N4.ClH/c9-7-3-1-2-4-8(7)12-10-5-6-11-12;/h1-6H,9H2;1H
InChIKeyKDEBMOZZTDMUSE-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.27
Rot. Bonds1

About 2-(triazol-2-yl)aniline;hydrochloride

2-(triazol-2-yl)aniline;hydrochloride (PubChem CID 126796933) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(triazol-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(triazol-2-yl)aniline;hydrochloride
PubChem CID126796933
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name2-(triazol-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccccc1-n1nccn1
InChIInChI=1S/C8H8N4.ClH/c9-7-3-1-2-4-8(7)12-10-5-6-11-12;/h1-6H,9H2;1H
InChIKeyKDEBMOZZTDMUSE-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-2-yl)aniline;hydrochloride?
The IUPAC name of 2-(triazol-2-yl)aniline;hydrochloride (CID 126796933) is 2-(triazol-2-yl)aniline;hydrochloride.
What is the SMILES notation for 2-(triazol-2-yl)aniline;hydrochloride?
The canonical SMILES for 2-(triazol-2-yl)aniline;hydrochloride is Cl.Nc1ccccc1-n1nccn1.
What is the InChIKey of 2-(triazol-2-yl)aniline;hydrochloride?
The InChIKey is KDEBMOZZTDMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.ClH/c9-7-3-1-2-4-8(7)12-10-5-6-11-12;/h1-6H,9H2;1H.
What are the key properties of 2-(triazol-2-yl)aniline;hydrochloride?
2-(triazol-2-yl)aniline;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)aniline;hydrochloride is sourced from PubChem (CID 126796933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).